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Picolinyl 17-methyl-eicosanoate

View entire compound with spectra: 1 NMR, and 1 FTIR

Picolinyl 17-methyl-eicosanoate
SpectraBase Compound ID Ay7RoEBLelN
InChI InChI=1S/C27H47NO2/c1-3-18-25(2)19-15-13-11-9-7-5-4-6-8-10-12-14-16-21-27(29)30-24-26-20-17-22-28-23-26/h17,20,22-23,25H,3-16,18-19,21,24H2,1-2H3
InChIKey CVMLIXLFSZJREV-UHFFFAOYSA-N
Mol Weight 417.7 g/mol
Molecular Formula C27H47NO2
Exact Mass 417.36068 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1pe8TCUKhBi
Name Picolinyl 17-methyl-eicosanoate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 417.360679755 u
Formula C27H47NO2
InChI InChI=1S/C27H47NO2/c1-3-18-25(2)19-15-13-11-9-7-5-4-6-8-10-12-14-16-21-27(29)30-24-26-20-17-22-28-23-26/h17,20,22-23,25H,3-16,18-19,21,24H2,1-2H3
InChIKey CVMLIXLFSZJREV-UHFFFAOYSA-N
Molecular Weight 417.678 g/mol
SMILES C1=CN=CC(=C1)COC(CCCCCCCCCCCCCCCC(CCC)C)=O